SCHEMBL28601319

SCHEMBL28601319

CCC(=O)Oc1cc(F)c(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ESR1 P03372 2/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
ACHE P22303 3/20 0.40
ELANE P08246 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2000768 0.88 KMT2A (0.47) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL28846397 0.80 ACHE (0.49) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL28597878 0.80 KMT2A (0.41) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL27714304 0.80 ACHE (0.49) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL27484827 0.75 CYP4F2 (0.42) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL1995725 0.74 CYP4F2 (0.49) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL29131729 0.74 KMT2A (0.48) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL1995471 0.74 ESR1 (0.40) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL1787665 0.74 KMT2A (0.53) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL1996079 0.74 BCL9 (0.46) KMT2AKDM4EALDH1A1GLAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164571-A Inhibition of ubiquitin-specific peptidase 9X 福马治疗股份有限公司 2021-07-23 CN disclosed